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Author(s):   Wei, Z.G.; Huang, X.R.; Zhang, S.W.; Sun, Y.B.; Qian, H.J.; Sun, C.C.
Title:   A theoretical study on the potential energy surface of the 3C2+ NO reaction
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   6771 - 6777
Year:   2004
Reference type:   Journal article
Squib:   2004WEI/HUA6771-6777

Reaction:   NO + C2CN + CO
Rate expression:   no rate data available
Category:  Theory
Data type:   Barrier height only calculated
Pressure dependence:   None reported
Comments:   This is triplet C2.
Major channel at low temperature (<1000 K).
Doublet and quartet surfaces considered, no reasonable reactions found on quartet, B3LYP/6-311G(d)

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